Description

• Title:
  8-Phenyl-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]oxazin-6-one
• Creator:
  Małecka, Magdalena;
  Pasternak, Beata;
  Leśniak, Stanisław
• Contributor:
  Department of Structural Chemistry and Crystallography, University of Łódź, Tamka 12, PL-91403 Łódź, Poland;
  Department of Organic and Applied Chemistry, University of Łódź, Tamka 12, PL-91403 Łódź, Poland;
  malecka@uni.lodz.pl
• Description:
  In the title compound, C13H15NO2, the hexa­hydro­pyrrolo­[2,1-c][1,4]oxazine fragment is disordered over two conformations (A and B) in a 0.656 (5):0.344 (5) ratio. The five-membered ring is similarly disordered and adopts an envelope conformation in A, while in B this ring is nearly planar [maximum deviation = 0.088 (1) Å]. The six-membered rings in both A and B exhibit chair conformations. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into ribbons propagating in [010].;
  Financial support from University of Łódź (grant No. 505/721/R to MM) is gratefully acknowledged. The authors thank Dr Klaus Harms from Philipps University in Marburg (Germany) for collecting the data.
• Object availability:
  free access
• Rights:
  Uznanie autorstwa 4.0 Międzynarodowe;
  http://creativecommons.org/licenses/by/4.0
• Date:
  2022.01.31;
  2011
• Type:
  Article
• Language:
  English
• Format:
  application/pdf
• Publisher:
  International Union of Crystallography
• Relation:
  Acta Crystallographica Section E: Crystallographic Communications;67;
  9
• Subject:
  single-crystal X-ray study;
  T = 100 K;
  mean (C–C) = 0.003 A˚;
  disorder in main residue;
  R factor = 0.047;
  wR factor = 0.109;
  data-to-parameter ratio = 11.7
• Identifier:
  1600-5368;
  http://hdl.handle.net/11089/40540 ;
  10.1107/S1600536811032806
• Data provider:
  Repozytorium Uniwersytetu Łódzkiego
• Can I use it?:
  check license
• Type:
  image